2,12,19-tri-tert-butyl-5H,7H,9H-7l5-7,13b-(epoxymethano[1,2]benzeno)benzo[d]benzo[4,5][1,2]oxaphosphinino[2,3-b][1,2]oxaphosphinine | 866218-08-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 英文名称: 2,12,19-tri-tert-butyl-5H,7H,9H-7l5-7,13b-(epoxymethano[1,2]benzeno)benzo[d]benzo[4,5][1,2]oxaphosphinino[2,3-b][1,2]oxaphosphinine
• CAS: 866218-08-8
• 化学式: C₃₄H₄₃O₃P
• 分子量: 530.687
• InChiKey: PNVNPUUABCNMLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.96
• 重原子数：
  38.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,12,19-tri-tert-butyl-5H,7H,9H-7l5-7,13b-(epoxymethano[1,2]benzeno)benzo[d]benzo[4,5][1,2]oxaphosphinino[2,3-b][1,2]oxaphosphinine 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以97%的产率得到[4-Tert-butyl-2-(2,12-ditert-butyl-7-sulfido-5,9-dihydro-[2,3]benzoxaphosphinino[3,4-c][2,3]benzoxaphosphinin-7-ium-13b-yl)phenyl]methanol
  参考文献：
  名称：

  Chemistry of Carbaphosphatranes

  摘要：

  A 5-carbaphosphatrane and a 6-carbaphosphatrane were synthesized by utilizing triarylmethyl-type tetradentate ligands. Their structures were determined by X-ray crystallographic analysis to reveal that they have nealy ideal trigonal bipyramidal structures with a perfectly anti-apicophilic arrangement. (1)J(PH) and (1)J(PC) values of carbaphosphatranes were shown to be extraordinarily large as an apical coupling constant. The reactivities of carbaphosphatranes based on the tautomerization with their corresponding phosphonites were demonstrated in some reactions.

  DOI：

  10.1080/10426500701734398
• 作为产物：
  描述：

  2,12,19-tri-tert-butyl-5H,9H-7,13b-(epoxymethano[1,2]benzeno)benzo[d]benzo[4,5][1,2]oxaphosphinino[2,3-b][1,2]oxaphosphinin-7-ium trifluoromethanesulfonate 在 lithium tri-t-butoxyaluminum hydride 作用下， 以63%的产率得到2,12,19-tri-tert-butyl-5H,7H,9H-7l5-7,13b-(epoxymethano[1,2]benzeno)benzo[d]benzo[4,5][1,2]oxaphosphinino[2,3-b][1,2]oxaphosphinine
  参考文献：
  名称：

  Chemistry of Carbaphosphatranes

  摘要：

  A 5-carbaphosphatrane and a 6-carbaphosphatrane were synthesized by utilizing triarylmethyl-type tetradentate ligands. Their structures were determined by X-ray crystallographic analysis to reveal that they have nealy ideal trigonal bipyramidal structures with a perfectly anti-apicophilic arrangement. (1)J(PH) and (1)J(PC) values of carbaphosphatranes were shown to be extraordinarily large as an apical coupling constant. The reactivities of carbaphosphatranes based on the tautomerization with their corresponding phosphonites were demonstrated in some reactions.

  DOI：

  10.1080/10426500701734398

文献信息

• Synthesis, structures and properties of novel tricyclic tetraalkylphosphoranes with hydrogen and chlorine atoms at the apical position
  作者：Takayuki Kawashima、Atsushi Yatabe、Shin-ya Nakafuji、Junji Kobayashi、Yosuke Uchiyama

  DOI：10.1080/10426507.2021.2013844

  日期：2022.6.3

  Abstract A tetraalkylhydrophosphorane having three methylene groups instead of three equatorial oxygen atoms of a 1-hydro-5-carbaphosphatrane was synthesized by the reaction of the corresponding phosphonium salt with LiAlH4. A tetraalkylchloro- phosphorane was obtained from the phosphonium salt. Their X-ray crystallographic analyses showed that they have nearly ideal trigonal bipyramidal structures

  摘要 通过相应的鏻盐与LiAlH 4的反应，合成了具有三个亚甲基而不是1-氢-5-碳磷膦烷的三个赤道氧原子的四烷基氢正膦。由鏻盐获得四烷基氯正膦。他们的 X 射线晶体学分析表明，它们具有近乎理想的三角双锥结构。它们的键长和键角以及顶端偶联常数表明它们具有通常的亲粉排列。四烷基氢正膦产生两种氧化膦，其中一种是在日光下通过对次甲基碳键的均裂键断裂形成的。估计另一种氧化膦是其通过对苄基键断裂形成的异构体。氯正膦与 Me 3的反应Al提供相应的具有甲基的五烷基正膦。